BDBM50101373 (S)-2-(4-Sulfamoyl-benzoylamino)-pentanedioic acid::CHEMBL50897

SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O

InChI Key: InChIKey=QZEVTOIQUDQNAS-VIFPVBQESA-N

Data: 3 KI  1 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50101373   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50101373 ((S)-2-(4-Sulfamoyl-benzoylamino)-pentanedioic acid...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C12H14N2O7S/c13-22(20,21)8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6H2,(H,14,17)(H,15,16)(H,18,19)(H2,13,20,21)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Binding affinity against human carbonic anhydrase II (hCA -II)				Bioorg Med Chem Lett 11: 1787-91 (2001) BindingDB Entry DOI: 10.7270/Q2K64JM5
					More data for this Ligand-Target Pair
Carbonic Anhydrase IV (Bos taurus (bovine))	BDBM50101373 ((S)-2-(4-Sulfamoyl-benzoylamino)-pentanedioic acid...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C12H14N2O7S/c13-22(20,21)8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6H2,(H,14,17)(H,15,16)(H,18,19)(H2,13,20,21)/t9-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity against bovine carbonic anhydrase IV (bCA IV)				Bioorg Med Chem Lett 11: 1787-91 (2001) BindingDB Entry DOI: 10.7270/Q2K64JM5
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50101373 ((S)-2-(4-Sulfamoyl-benzoylamino)-pentanedioic acid...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C12H14N2O7S/c13-22(20,21)8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6H2,(H,14,17)(H,15,16)(H,18,19)(H2,13,20,21)/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi Curated by ChEMBL					Assay Description Binding affinity against human carbonic anhydrase I (hCA I)				Bioorg Med Chem Lett 11: 1787-91 (2001) BindingDB Entry DOI: 10.7270/Q2K64JM5
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50101373 ((S)-2-(4-Sulfamoyl-benzoylamino)-pentanedioic acid...) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O Show InChI InChI=1S/C12H14N2O7S/c13-22(20,21)8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6H2,(H,14,17)(H,15,16)(H,18,19)(H2,13,20,21)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Dissociation constant against human carbonic anhydrase II at 37 degree centigrade				Bioorg Med Chem Lett 6: 559-564 (1996) Article DOI: 10.1016/0960-894X(96)00069-8 BindingDB Entry DOI: 10.7270/Q2V124SF
					More data for this Ligand-Target Pair